4-ethoxy-N-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine

C16H19F3N4O — CID 58039628

IUPAC4-ethoxy-N-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cc2cccc(C(F)(F)F)c2)nc(NC(C)C)n1
InChIInChI=1S/C16H19F3N4O/c1-4-24-15-22-13(21-14(23-15)20-10(2)3)9-11-6-5-7-12(8-11)16(17,18)19/h5-8,10H,4,9H2,1-3H3,(H,20,21,22,23)
InChIKeyHTADEINHCZIEOE-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.70
Rot. Bonds6

About 4-ethoxy-N-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine

4-ethoxy-N-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine (PubChem CID 58039628) has the molecular formula C16H19F3N4O and a molecular weight of 340.35 g/mol. Its IUPAC name is 4-ethoxy-N-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
PubChem CID58039628
Molecular FormulaC16H19F3N4O
Molecular Weight340.35 g/mol
Exact Mass340.15
IUPAC Name4-ethoxy-N-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cc2cccc(C(F)(F)F)c2)nc(NC(C)C)n1
InChIInChI=1S/C16H19F3N4O/c1-4-24-15-22-13(21-14(23-15)20-10(2)3)9-11-6-5-7-12(8-11)16(17,18)19/h5-8,10H,4,9H2,1-3H3,(H,20,21,22,23)
InChIKeyHTADEINHCZIEOE-UHFFFAOYSA-N
XLogP3.70
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-N-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine (CID 58039628) is 4-ethoxy-N-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-N-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-N-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine is CCOc1nc(Cc2cccc(C(F)(F)F)c2)nc(NC(C)C)n1.
What is the InChIKey of 4-ethoxy-N-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine?
The InChIKey is HTADEINHCZIEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O/c1-4-24-15-22-13(21-14(23-15)20-10(2)3)9-11-6-5-7-12(8-11)16(17,18)19/h5-8,10H,4,9H2,1-3H3,(H,20,21,22,23).
What are the key properties of 4-ethoxy-N-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine?
4-ethoxy-N-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine has a molecular weight of 340.35 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 58039628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).